N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyleneamino]-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[(E)-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]amino]amine Formula: C20H13ClN4O2S2 MolecularWeight: 440.92582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN4O2S2/c21-14-6-8-15(9-7-14)28-19-10-5-13(11-17(19)25(26)27)12-22-24-20-23-16-3-1-2-4-18(16)29-20/h1-12H,(H,23,24)/b22-12+